(6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

C19H19N3O3S — CID 1004412

IUPAC(6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccccc2)CC(=O)N1C
InChIInChI=1S/C19H19N3O3S/c1-22-17(23)12-16(18(24)20-13-8-4-3-5-9-13)26-19(22)21-14-10-6-7-11-15(14)25-2/h3-11,16H,12H2,1-2H3,(H,20,24)/b21-19-/t16-/m0/s1
InChIKeyDIOVFQDACQWMEM-XOMICKMZSA-N
MW369.45 g/mol
LogP3.29
Rot. Bonds4

About (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide

(6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (PubChem CID 1004412) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
PubChem CID1004412
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILESCOc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccccc2)CC(=O)N1C
InChIInChI=1S/C19H19N3O3S/c1-22-17(23)12-16(18(24)20-13-8-4-3-5-9-13)26-19(22)21-14-10-6-7-11-15(14)25-2/h3-11,16H,12H2,1-2H3,(H,20,24)/b21-19-/t16-/m0/s1
InChIKeyDIOVFQDACQWMEM-XOMICKMZSA-N
XLogP3.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 699214
N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139917
3-ethyl-N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 3143753
N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3523859
4-[[2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 3139939
(6R)-N-(4-bromophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114350
(6R)-N-(3-chlorophenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114298
N-(3-ethoxyphenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3140011
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
CID 3139953
methyl 4-[[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
CID 4089654
4-[[2-[2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3136254
(6R)-2-(3-fluorophenyl)imino-N-(4-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114290

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide (CID 1004412) is (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccccc2)CC(=O)N1C.
What is the InChIKey of (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
The InChIKey is DIOVFQDACQWMEM-XOMICKMZSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22-17(23)12-16(18(24)20-13-8-4-3-5-9-13)26-19(22)21-14-10-6-7-11-15(14)25-2/h3-11,16H,12H2,1-2H3,(H,20,24)/b21-19-/t16-/m0/s1.
What are the key properties of (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide?
(6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 1004412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).